1-bromo-N-(3-chloro-2,6-diethylphenyl)methanesulfonamide

C11H15BrClNO2S — CID 83083916

IUPAC1-bromo-N-(3-chloro-2,6-diethylphenyl)methanesulfonamide
SMILESCCc1ccc(Cl)c(CC)c1NS(=O)(=O)CBr
InChIInChI=1S/C11H15BrClNO2S/c1-3-8-5-6-10(13)9(4-2)11(8)14-17(15,16)7-12/h5-6,14H,3-4,7H2,1-2H3
InChIKeyMVVWRVQVSXORHF-UHFFFAOYSA-N
MW340.67 g/mol
LogP3.56
Rot. Bonds5

About 1-bromo-N-(3-chloro-2,6-diethylphenyl)methanesulfonamide

1-bromo-N-(3-chloro-2,6-diethylphenyl)methanesulfonamide (PubChem CID 83083916) has the molecular formula C11H15BrClNO2S and a molecular weight of 340.67 g/mol. Its IUPAC name is 1-bromo-N-(3-chloro-2,6-diethylphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-(3-chloro-2,6-diethylphenyl)methanesulfonamide
PubChem CID83083916
Molecular FormulaC11H15BrClNO2S
Molecular Weight340.67 g/mol
Exact Mass338.97
IUPAC Name1-bromo-N-(3-chloro-2,6-diethylphenyl)methanesulfonamide
SMILESCCc1ccc(Cl)c(CC)c1NS(=O)(=O)CBr
InChIInChI=1S/C11H15BrClNO2S/c1-3-8-5-6-10(13)9(4-2)11(8)14-17(15,16)7-12/h5-6,14H,3-4,7H2,1-2H3
InChIKeyMVVWRVQVSXORHF-UHFFFAOYSA-N
XLogP3.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.67
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(3-chloro-2,6-diethylphenyl)butane-1-sulfonamide
CID 116814873
1-bromo-N-(2,6-dichlorophenyl)methanesulfonamide
CID 83083816
1-bromo-N-(4-bromo-2,6-dichlorophenyl)methanesulfonamide
CID 83084493
2-bromo-N-(3-chloro-2,6-diethylphenyl)butanamide
CID 62855747
3-chloro-2,6-diethylbenzenesulfonamide
CID 43363655
1-chloro-3-(3-chloro-2,6-diethylanilino)propan-2-ol
CID 168640686
1-(3-chloro-2,6-diethylphenyl)-3-propylurea
CID 47108166
1-(3-chloro-2,6-diethylphenyl)-3-cyclopropylurea
CID 47197433
2-bromo-N-(3-chloro-2,6-diethylphenyl)furan-3-carboxamide
CID 106852902
1-bromo-N-(2,6-dibromophenyl)methanesulfonamide
CID 107602651
3-acetamido-N-(3-chloro-2,6-diethylphenyl)propanamide
CID 29298588
1-(3-chloro-2,6-diethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890756

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-(3-chloro-2,6-diethylphenyl)methanesulfonamide?
The IUPAC name of 1-bromo-N-(3-chloro-2,6-diethylphenyl)methanesulfonamide (CID 83083916) is 1-bromo-N-(3-chloro-2,6-diethylphenyl)methanesulfonamide.
What is the SMILES notation for 1-bromo-N-(3-chloro-2,6-diethylphenyl)methanesulfonamide?
The canonical SMILES for 1-bromo-N-(3-chloro-2,6-diethylphenyl)methanesulfonamide is CCc1ccc(Cl)c(CC)c1NS(=O)(=O)CBr.
What is the InChIKey of 1-bromo-N-(3-chloro-2,6-diethylphenyl)methanesulfonamide?
The InChIKey is MVVWRVQVSXORHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClNO2S/c1-3-8-5-6-10(13)9(4-2)11(8)14-17(15,16)7-12/h5-6,14H,3-4,7H2,1-2H3.
What are the key properties of 1-bromo-N-(3-chloro-2,6-diethylphenyl)methanesulfonamide?
1-bromo-N-(3-chloro-2,6-diethylphenyl)methanesulfonamide has a molecular weight of 340.67 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-(3-chloro-2,6-diethylphenyl)methanesulfonamide is sourced from PubChem (CID 83083916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).